1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine

C16H25NO — CID 64740732

IUPAC1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC(N)c1cccc(OC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H25NO/c1-11-7-8-16(9-12(11)2)18-15-6-4-5-14(10-15)13(3)17/h4-6,10-13,16H,7-9,17H2,1-3H3
InChIKeyLJZYGJGRBNPVFI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.91
Rot. Bonds3

About 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine

1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine (PubChem CID 64740732) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
PubChem CID64740732
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
SMILESCC(N)c1cccc(OC2CCC(C)C(C)C2)c1
InChIInChI=1S/C16H25NO/c1-11-7-8-16(9-12(11)2)18-15-6-4-5-14(10-15)13(3)17/h4-6,10-13,16H,7-9,17H2,1-3H3
InChIKeyLJZYGJGRBNPVFI-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-[(3R)-oxolan-3-yl]oxyphenyl]ethanamine
CID 67021938
1-[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64745370
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
1-(3,4-dimethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64765498
(1R)-1-[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanamine
CID 83123467
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64744791
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methanol
CID 107193013
tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate
CID 114522678
(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105051741

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine (CID 64740732) is 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine is CC(N)c1cccc(OC2CCC(C)C(C)C2)c1.
What is the InChIKey of 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
The InChIKey is LJZYGJGRBNPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-8-16(9-12(11)2)18-15-6-4-5-14(10-15)13(3)17/h4-6,10-13,16H,7-9,17H2,1-3H3.
What are the key properties of 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine?
1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylcyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 64740732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).